O1-ethyl O2-methyl 4-octyl-3-oxidanyl-6-(phenylcarbonyl)benzene-1,2-dicarboxylate

Systemtic Name: O1-ethyl O2-methyl 4-octyl-3-oxidanyl-6-(phenylcarbonyl)benzene-1,2-dicarboxylate Openeye Name: O1-ethyl O2-methyl 6-benzoyl-3-hydroxy-4-octyl-benzene-1,2-dicarboxylate CAS Name: 6-benzoyl-3-hydroxy-4-octylbenzene-1,2-dicarboxylic acid O1-ethyl ester O2-methyl ester IUPAC Name: 1-O-ethyl 2-O-methyl 6-benzoyl-3-hydroxy-4-octylbenzene-1,2-dicarboxylate Traditional Name: 6-benzoyl-3-hydroxy-4-octyl-benzene-1,2-dicarboxylic acid O1-ethyl ester O2-methyl ester Formula: C26H32O6 MolecularWeight: 440.52868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C(=C1)C(=O)C2=CC=CC=C2)C(=O)OCC)C(=O)OC)O

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C(=C1)C(=O)C2=CC=CC=C2)C(=O)OCC)C(=O)OC)O

InChI

InChI=1S/C26H32O6/c1-4-6-7-8-9-11-16-19-17-20(23(27)18-14-12-10-13-15-18)21(26(30)32-5-2)22(24(19)28)25(29)31-3/h10,12-15,17,28H,4-9,11,16H2,1-3H3